![4-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)amino]-4-oxobutanoic acid](/api/spectrum/C5kG0DHo4u/structure.png?h=300&w=458 "4-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)amino]-4-oxobutanoic acid")
| SpectraBase Compound ID | GApI7GWEjxk |
|---|---|
| InChI | InChI=1S/C13H15NO5/c15-12(5-6-13(16)17)14-7-9-8-18-10-3-1-2-4-11(10)19-9/h1-4,9H,5-8H2,(H,14,15)(H,16,17) |
| InChIKey | HCGXNPQDNIEHBJ-UHFFFAOYSA-N |
| Mol Weight | 265.26 g/mol |
| Molecular Formula | C13H15NO5 |
| Exact Mass | 265.095023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C5kG0DHo4u |
|---|---|
| Name | 4-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)amino]-4-oxobutanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.095022582 u |
| Formula | C13H15NO5 |
| InChI | InChI=1S/C13H15NO5/c15-12(5-6-13(16)17)14-7-9-8-18-10-3-1-2-4-11(10)19-9/h1-4,9H,5-8H2,(H,14,15)(H,16,17) |
| InChIKey | HCGXNPQDNIEHBJ-UHFFFAOYSA-N |
| Molecular Weight | 265.265 g/mol |
| SMILES | N(C(CCC(=O)O)=O)CC1OC=2C(=CC=CC2)OC1 |